SCHEMBL2996231

SCHEMBL2996231

CCCC(CCC)N1CCc2c(C(=O)O)cccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.42
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
FABP4 P15090 2/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
MYC P01106 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3005941 0.90 ALOX15 (0.41) FABP4ALOX15KDM4EALDH1A1L3MBTL1
SCHEMBL3005921 0.86 MAPT (0.41) DHPSITGB3ITGA2BKDM4EALDH1A1
SCHEMBL3000769 0.82 DHPS (0.41) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL3006179 0.81 ITGB3 (0.38) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL3002199 0.81 ITGB3 (0.38) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL3651071 0.80 ITGB3 (0.39) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL3653143 0.80 ITGB3 (0.37) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL3005862 0.80 ITGB3 (0.37) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL2998670 0.79 DHPS (0.40) DHPSITGB3ITGA2BALOX15KDM4E
SCHEMBL2995949 0.77 HSD11B1 (0.40) FABP4ALDH1A1L3MBTL1HTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 DHPS 473/4885ITGB3 3447/4885ITGA2B 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.